2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide

C29H30N4O4 — CID 50762674

About 2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide

2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide (PubChem CID 50762674) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide
• PubChem CID: 50762674
• Molecular Formula: C29H30N4O4
• Molecular Weight: 498.58 g/mol
• Exact Mass: 498.23
• IUPAC Name: 2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide
• SMILES: Cc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(CC(=O)NCC(C)C)cc3)c(=O)c3ccccc32)c1
• InChI: InChI=1S/C29H30N4O4/c1-19(2)17-30-26(34)16-21-11-13-23(14-12-21)33-28(36)24-9-4-5-10-25(24)32(29(33)37)18-27(35)31-22-8-6-7-20(3)15-22/h4-15,19H,16-18H2,1-3H3,(H,30,34)(H,31,35)
• InChIKey: TXSKEZVTVMTUIG-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 102.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.58
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide?

The IUPAC name of 2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide (CID 50762674) is 2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide.

What is the SMILES notation for 2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide?

The canonical SMILES for 2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide is Cc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(CC(=O)NCC(C)C)cc3)c(=O)c3ccccc32)c1.

What is the InChIKey of 2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide?

The InChIKey is TXSKEZVTVMTUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-19(2)17-30-26(34)16-21-11-13-23(14-12-21)33-28(36)24-9-4-5-10-25(24)32(29(33)37)18-27(35)31-22-8-6-7-20(3)15-22/h4-15,19H,16-18H2,1-3H3,(H,30,34)(H,31,35).

What are the key properties of 2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide?

2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide has a molecular weight of 498.58 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 50762674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).